BDP 558/568 tetrazine

Product Introduction

BDP 558/568 has a high molar extinction coefficient and high quantum yield; this is a bright fluorophore and an alternative to BODIPY™ 558/568 and Cy3™ because of similar spectral properties. BDP 558/568 can be used in two-photon microscopy; it has a long excited-state lifetime, so it can be used in fluorescence polarization assay.,BDP 558/568 tetrazine is a convenient reagent for producing fluorescent conjugates of proteins, nucleic acids, and other biomolecules by tetrazine-trans-cyclooctene (TCO) ligation. This cycloaddition reaction runs relatively rapidly without metal catalysts.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	3-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
Canonical SMILES	[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)CCC(=O)NCC5=CC=C(C=C5)C6=NN=C(N=N6)C)(F)F
InChI	InChI=1S/C26H22BF2N7OS/c1-17-31-33-26(34-32-17)19-6-4-18(5-7-19)16-30-25(37)13-11-20-8-9-21-15-22-10-12-23(24-3-2-14-38-24)36(22)27(28,29)35(20)21/h2-10,12,14-15H,11,13,16H2,1H3,(H,30,37)
InChI Key	DJVAIJMMOAKFAL-UHFFFAOYSA-N
Solubility	Very soluble in DMSO and DMF
Appearance	Brown powder

Computed Properties
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	529.1667660 g/mol
Monoisotopic Mass	529.1667660 g/mol
Topological Polar Surface Area	117Ų
Heavy Atom Count	38
Formal Charge	0
Complexity	994
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes